2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide

C18H20F3N3O2S — CID 121142903

IUPAC2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)c(C)c1
InChIInChI=1S/C18H20F3N3O2S/c1-12-3-5-16(13(2)9-12)27(25,26)23-15-7-8-24(11-15)17-6-4-14(10-22-17)18(19,20)21/h3-6,9-10,15,23H,7-8,11H2,1-2H3
InChIKeyMEBQGRGBMTYYID-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide

2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 121142903) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID121142903
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)c(C)c1
InChIInChI=1S/C18H20F3N3O2S/c1-12-3-5-16(13(2)9-12)27(25,26)23-15-7-8-24(11-15)17-6-4-14(10-22-17)18(19,20)21/h3-6,9-10,15,23H,7-8,11H2,1-2H3
InChIKeyMEBQGRGBMTYYID-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 99874881
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142917
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 121142963
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142678
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 9111459
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide (CID 121142903) is 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is MEBQGRGBMTYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c1-12-3-5-16(13(2)9-12)27(25,26)23-15-7-8-24(11-15)17-6-4-14(10-22-17)18(19,20)21/h3-6,9-10,15,23H,7-8,11H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 399.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 121142903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).